(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine

C55H109N9O7 — CID 172840576

IUPAC(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
SMILESCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)O.CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)NCCCN.CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCN.NCCCCCN
InChIInChI=1S/2C18H35N3O2.C14H25NO3.C5H14N2/c2*1-2-3-4-5-6-7-12-17(22)21-15-9-8-11-16(21)18(23)20-14-10-13-19;1-2-3-4-5-6-10-13(16)15-11-8-7-9-12(15)14(17)18;6-4-2-1-3-5-7/h2*16H,2-15,19H2,1H3,(H,20,23);12H,2-11H2,1H3,(H,17,18);1-7H2/t2*16-;12-;/m101./s1
InChIKeyWSUVPNVBZRRVRS-OIWVOEPRSA-N
MW1008.53 g/mol
LogP8.05
Rot. Bonds33

About (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine

(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine (PubChem CID 172840576) has the molecular formula C55H109N9O7 and a molecular weight of 1008.53 g/mol. Its IUPAC name is (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine.

Molecular Properties

Compound Name(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
PubChem CID172840576
Molecular FormulaC55H109N9O7
Molecular Weight1008.53 g/mol
Exact Mass1007.84
IUPAC Name(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
SMILESCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)O.CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)NCCCN.CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCN.NCCCCCN
InChIInChI=1S/2C18H35N3O2.C14H25NO3.C5H14N2/c2*1-2-3-4-5-6-7-12-17(22)21-15-9-8-11-16(21)18(23)20-14-10-13-19;1-2-3-4-5-6-10-13(16)15-11-8-7-9-12(15)14(17)18;6-4-2-1-3-5-7/h2*16H,2-15,19H2,1H3,(H,20,23);12H,2-11H2,1H3,(H,17,18);1-7H2/t2*16-;12-;/m101./s1
InChIKeyWSUVPNVBZRRVRS-OIWVOEPRSA-N
XLogP8.05
TPSA260.51 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds33
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.53
LogP ≤ 58.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine with MolForge

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Related Compounds

(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-decanoylazepane-2-carboxylic acid
CID 64558604
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
tert-butyl (2R)-2-(octylcarbamoyl)piperidine-1-carboxylate;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 160831037
CID 160598111
CID 160598111

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine?
The IUPAC name of (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine (CID 172840576) is (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine.
What is the SMILES notation for (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine?
The canonical SMILES for (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine is CCCCCCCC(=O)N1CCCC[C@@H]1C(=O)O.CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)NCCCN.CCCCCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCN.NCCCCCN.
What is the InChIKey of (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine?
The InChIKey is WSUVPNVBZRRVRS-OIWVOEPRSA-N. The full InChI is InChI=1S/2C18H35N3O2.C14H25NO3.C5H14N2/c2*1-2-3-4-5-6-7-12-17(22)21-15-9-8-11-16(21)18(23)20-14-10-13-19;1-2-3-4-5-6-10-13(16)15-11-8-7-9-12(15)14(17)18;6-4-2-1-3-5-7/h2*16H,2-15,19H2,1H3,(H,20,23);12H,2-11H2,1H3,(H,17,18);1-7H2/t2*16-;12-;/m101./s1.
What are the key properties of (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine?
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine has a molecular weight of 1008.53 g/mol, XLogP of 8.05, 33 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine is sourced from PubChem (CID 172840576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).